2-amino-2-methylhex-5-yn-3-ol

C7H13NO — CID 130589365

IUPAC2-amino-2-methylhex-5-yn-3-ol
SMILESC#CCC(O)C(C)(C)N
InChIInChI=1S/C7H13NO/c1-4-5-6(9)7(2,3)8/h1,6,9H,5,8H2,2-3H3
InChIKeyIODHAYIRQYIWFO-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.11
Rot. Bonds2

About 2-amino-2-methylhex-5-yn-3-ol

2-amino-2-methylhex-5-yn-3-ol (PubChem CID 130589365) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-amino-2-methylhex-5-yn-3-ol.

Molecular Properties

Compound Name2-amino-2-methylhex-5-yn-3-ol
PubChem CID130589365
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-amino-2-methylhex-5-yn-3-ol
SMILESC#CCC(O)C(C)(C)N
InChIInChI=1S/C7H13NO/c1-4-5-6(9)7(2,3)8/h1,6,9H,5,8H2,2-3H3
InChIKeyIODHAYIRQYIWFO-UHFFFAOYSA-N
XLogP0.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylhex-5-yn-3-ol?
The IUPAC name of 2-amino-2-methylhex-5-yn-3-ol (CID 130589365) is 2-amino-2-methylhex-5-yn-3-ol.
What is the SMILES notation for 2-amino-2-methylhex-5-yn-3-ol?
The canonical SMILES for 2-amino-2-methylhex-5-yn-3-ol is C#CCC(O)C(C)(C)N.
What is the InChIKey of 2-amino-2-methylhex-5-yn-3-ol?
The InChIKey is IODHAYIRQYIWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-6(9)7(2,3)8/h1,6,9H,5,8H2,2-3H3.
What are the key properties of 2-amino-2-methylhex-5-yn-3-ol?
2-amino-2-methylhex-5-yn-3-ol has a molecular weight of 127.19 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylhex-5-yn-3-ol is sourced from PubChem (CID 130589365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).